2-[3-[1-(4-hydroxyphenyl)pyrazol-4-yl]propanoylamino]benzoic acid

C19H17N3O4 — CID 46890165

IUPAC2-[3-[1-(4-hydroxyphenyl)pyrazol-4-yl]propanoylamino]benzoic acid
SMILESO=C(CCc1cnn(-c2ccc(O)cc2)c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C19H17N3O4/c23-15-8-6-14(7-9-15)22-12-13(11-20-22)5-10-18(24)21-17-4-2-1-3-16(17)19(25)26/h1-4,6-9,11-12,23H,5,10H2,(H,21,24)(H,25,26)
InChIKeyFBXVAXQTVWDBLY-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.85
Rot. Bonds6

About 2-[3-[1-(4-hydroxyphenyl)pyrazol-4-yl]propanoylamino]benzoic acid

2-[3-[1-(4-hydroxyphenyl)pyrazol-4-yl]propanoylamino]benzoic acid (PubChem CID 46890165) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-[3-[1-(4-hydroxyphenyl)pyrazol-4-yl]propanoylamino]benzoic acid.

Molecular Properties

Compound Name2-[3-[1-(4-hydroxyphenyl)pyrazol-4-yl]propanoylamino]benzoic acid
PubChem CID46890165
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name2-[3-[1-(4-hydroxyphenyl)pyrazol-4-yl]propanoylamino]benzoic acid
SMILESO=C(CCc1cnn(-c2ccc(O)cc2)c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C19H17N3O4/c23-15-8-6-14(7-9-15)22-12-13(11-20-22)5-10-18(24)21-17-4-2-1-3-16(17)19(25)26/h1-4,6-9,11-12,23H,5,10H2,(H,21,24)(H,25,26)
InChIKeyFBXVAXQTVWDBLY-UHFFFAOYSA-N
XLogP2.85
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[3-[1-(4-hydroxyphenyl)pyrazol-4-yl]propanoylamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Pyrazolylbenzoic acid
CID 4738383
2-(3-(7-Hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanamido)benzoic acid
CID 11494579
2-{3-[1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl]propanamido}benzoic acid
CID 24741307
2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)-2-methylpropanamido)benzoicacid
CID 11516424
2-[[3-[1-(4-Hydroxyphenyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
CID 15986929
3-({[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}amino)benzoic acid
CID 1287838
(R)-2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)-2-methylpropanamido)cyclohex-1-enecarboxylic acid
CID 44586212
2-(3-(1-phenyl-1H-pyrazol-3-yl)propanamido)benzoicacid
CID 46890163
2-(3-(1-phenyl-1H-pyrazol-4-yl)propanamido)benzoicacid
CID 46890164
2-(3-(7-Hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanamido)benzoic acid
CID 54580748
N-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
CID 118725456
4-Methyl-3-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoic acid
CID 118725460

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-hydroxyphenyl)pyrazol-4-yl]propanoylamino]benzoic acid?
The IUPAC name of 2-[3-[1-(4-hydroxyphenyl)pyrazol-4-yl]propanoylamino]benzoic acid (CID 46890165) is 2-[3-[1-(4-hydroxyphenyl)pyrazol-4-yl]propanoylamino]benzoic acid.
What is the SMILES notation for 2-[3-[1-(4-hydroxyphenyl)pyrazol-4-yl]propanoylamino]benzoic acid?
The canonical SMILES for 2-[3-[1-(4-hydroxyphenyl)pyrazol-4-yl]propanoylamino]benzoic acid is O=C(CCc1cnn(-c2ccc(O)cc2)c1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[3-[1-(4-hydroxyphenyl)pyrazol-4-yl]propanoylamino]benzoic acid?
The InChIKey is FBXVAXQTVWDBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-15-8-6-14(7-9-15)22-12-13(11-20-22)5-10-18(24)21-17-4-2-1-3-16(17)19(25)26/h1-4,6-9,11-12,23H,5,10H2,(H,21,24)(H,25,26).
What are the key properties of 2-[3-[1-(4-hydroxyphenyl)pyrazol-4-yl]propanoylamino]benzoic acid?
2-[3-[1-(4-hydroxyphenyl)pyrazol-4-yl]propanoylamino]benzoic acid has a molecular weight of 351.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(4-hydroxyphenyl)pyrazol-4-yl]propanoylamino]benzoic acid is sourced from PubChem (CID 46890165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).